problem in using hybrid potential

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1

Hello Dear alls,
I want to use eam potential in setfl format along with morse inter atomic potential using command shown below
but there is some problem in applying these commands . when i try to execute the code an error appear ERROR: Incorrect args for pair coefficients. i am trying to correct the problem but still not successful. kindly guide me about this problem. thanks in advance for any help and suuggesions.
pair_style hybrid morse 2.559 eam/alloy
pair_coeff 1 2 eam/alloy CuNi.set Cu Ni
pair_coeff 2 2 eam/alloy CuNi.set Cu Ni
pair_coeff 1 1 eam/alloy CuNi.set Cu Ni
pair_coeff 1 3 morse 0.087 1.70 2.2
pair_coeff 2 3 morse 1.0094 1.98750 2.559
pair_coeff 3 3 morse 2.423 2.5550 2.522

Regards
Imran

2

You’re calling eam/alloy wrong. The correct format looks like this

pair_coeff * * ../potentials/NiAlH_jea.eam.alloy Ni Al Ni Ni

where the number of elements (or “NULL”) entered is equal to the total number of types. So you’d only have one eam/alloy pair_coeff command.

—AEI